Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy

Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy

Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological processes. Theoretical methods can reliably estimate the intermolecular HB energies. However, the methods for the quantification of intramolecular HB (IHB) energy available in the literature are mostly empirical or indir...

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Bibliographic Details
Main Authors: Milind M. Deshmukh, Shridhar R. Gadre
Format: Article
Language:English
Published: MDPI AG 2021-05-01
Series:Molecules
Subjects:
hydrogen bond (HB)
intramolecular hydrogen bond (IHB)
molecular tailoring approach (MTA)
fragmentation methods
bond energy estimation
noncovalent interactions
Online Access:https://www.mdpi.com/1420-3049/26/10/2928

Internet

https://www.mdpi.com/1420-3049/26/10/2928

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